CCOP(=O)(OCC)C(Cl)=Cc1cc(NC(=S)N2CCCCN2)c(F)cc1Cl
SMILES: CCOP(=O)(OCC)C(Cl)=Cc1cc(NC(=S)N2CCCCN2)c(F)cc1Cl

Molecular Processing

Molecular formula
C17H23Cl2FN3O3PS
Molecular weight
470.33
Exact mass
469.0559
XLogP
5.58
TPSA
62.83
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
116.26

Supplementary Information

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